SCHEMBL8232232

SCHEMBL8232232

Nc1nc2ccc(C#CC3NC(=O)NC3=O)cc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ AXL P30530 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP3A4 P08684 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP2C19 P33261 2/20 0.38
▸ PI4KA P42356 4/20 0.37
▸ PI4KB Q9UBF8 4/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25300074 0.74 RAB9A (0.47) ALDH1A1KDM4ELMNAPKMHPGD
SCHEMBL31114752 0.74 RAB9A (0.47) ALDH1A1KDM4ELMNAPKMHPGD
SCHEMBL8977446 0.74 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAPKMHPGD
SCHEMBL4684501 0.70 RAB9A (0.56) ALDH1A1KDM4ELMNAPKMHPGD
SCHEMBL25303557 0.69 PI4KA (0.59) ALDH1A1KDM4ELMNAPKMHPGD
SCHEMBL31114602 0.68 RAB9A (0.54) ALDH1A1KDM4ELMNAPKMHPGD
SCHEMBL25305045 0.68 RAB9A (0.54) ALDH1A1KDM4ELMNAPKMHPGD
SCHEMBL8232579 0.68 GRM5 (0.39) ALDH1A1RAB9AMAPTTSHRTDP1
SCHEMBL8232666 0.68 APP (0.36) TSHRTDP1
SCHEMBL25258605 0.67 RAB9A (0.53) ALDH1A1KDM4ELMNAPKMHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007084451-A1 HYDANTOIN DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2007-07-26 — — WO disclosed
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